Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HPRT1 | P00492 | 4/20 | 0.50 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.49 |
| ▸ | ADORA1 | P30542 | 2/20 | 0.46 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.44 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.43 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.43 |
| ▸ | TSHR | P16473 | 1/20 | 0.43 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.43 |
| ▸ | TLR8 | Q9NR97 | 1/20 | 0.42 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.42 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.42 |
| ▸ | NPC1 | O15118 | 1/20 | 0.41 |
| ▸ | RAB9A | P51151 | 1/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL9872788 | 0.87 | HPRT1 (0.52) | HPRT1ALOX5ALDH1A1CYP2A6TSHR | |
| SCHEMBL21122175 | 0.87 | HPRT1 (0.52) | HPRT1ALOX5ALDH1A1CYP2A6TSHR | |
| SCHEMBL1127908 | 0.87 | TLR8 (0.50) | ALOX5ADORA1ADORA2AALDH1A1HSD17B10 | |
| SCHEMBL27718961 | 0.81 | HPRT1 (0.48) | HPRT1ALOX5ALDH1A1HSD17B10CYP2A6 | |
| SCHEMBL755728 | 0.79 | ALOX5 (0.47) | HPRT1ALOX5ALDH1A1HSD17B10CYP2A6 | |
| SCHEMBL30726470 | 0.79 | ALOX5 (0.47) | HPRT1ALOX5ALDH1A1HSD17B10CYP2A6 | |
| Chrysene SCHEMBL17075382 | 0.77 | HPRT1 (0.64) | HPRT1ALDH1A1HSD17B10CYP2A6TSHR | |
| SCHEMBL12227908 | 0.76 | MAPK1 (0.50) | HPRT1ALOX5ALDH1A1HSD17B10TDP1 | |
| SCHEMBL30142113 | 0.76 | ALOX5 (0.65) | ALOX5ALDH1A1HSD17B10TSHRTDP1 | |
| SCHEMBL11882375 | 0.76 | HPRT1 (0.56) | HPRT1ALDH1A1HSD17B10CYP2A6TSHR |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4829090-A | SECONDARY AMINES, ANTITUMOR | BURROUGHS WELLCOME CO. (US) | 1989-05-09 | — | — | US | disclosed |
| US-4810727-A | ANTITUMOR | BURROUGHS WELLCOME CO. (US) | 1989-03-07 | — | — | US | disclosed |
| US-4719048-A | ANTITUMOR | BURROUGHS WELLCOME CO. (US) | 1988-01-12 | — | — | US | disclosed |
| US-4719046-A | ANTITUMOR | BURROUGHS WELLCOME CO. (US) | 1988-01-12 | — | — | US | disclosed |
| EP-0125702-B1 | POLYCYCLIC AROMATIC COMPOUNDS | THE WELLCOME FOUNDATION LIMITED (GB) | 1987-08-12 | — | — | EP | disclosed |
| EP-0125702-A2 | Polycyclic aromatic compounds | THE WELLCOME FOUNDATION LIMITED (GB) | 1984-11-21 | — | — | EP | disclosed |